DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:10:24 UTC
Update Date	2025-03-21 18:31:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00087023
Frequency	32.7
Structure
Chemical Formula	C₁₉H₃₁N₆O₁₇P₃
Molecular Mass	708.0959
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2CP(=O)(O)O)OC(CO)C(O)C1O
InChI Key	UKQLEWMVNSRQOH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	monosaccharides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-acyl-alpha-hexosamines n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organic pyrophosphates organophosphorus compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines purine 3'-deoxyribonucleoside diphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group pentose phosphate amino acid or derivatives monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative n-acyl-alpha-hexosamine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound oxane primary alcohol imidolactam organophosphonic acid derivative organoheterocyclic compound acetamide azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate carboxamide group organic pyrophosphate oxacycle secondary carboxylic acid amide phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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